#MD System 2.0

@Title neb0_image01

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
	Occupancy	double	1.0
	Site	int	1
	WyckoffPosition	int	-1
@end
@data
78 {} {0.664127435471 0.665260567659 -8.94745733186e-05} Pt1 1.0 1 1
78 {} {0.414370069584 0.91500053071 -0.00017647673403} Pt2 1.0 2 1
78 {} {0.414340420942 0.665292222805 -3.65624668954e-05} Pt3 1.0 3 1
78 {} {0.164274991798 0.915209703361 -0.000263898241822} Pt4 1.0 4 1
78 {} {0.914405751633 0.415021284008 5.44373479366e-05} Pt5 1.0 5 1
78 {} {0.91424990748 0.16520278251 -0.000148934385841} Pt6 1.0 6 1
78 {} {0.664387475652 0.415070288717 -0.000208712002678} Pt7 1.0 7 1
78 {} {0.164208923603 0.165320544237 4.01729597936e-05} Pt8 1.0 8 1
78 {} {0.914191669972 0.915308553578 -0.00016030726048} Pt9 1.0 9 1
78 {} {0.914147258398 0.665213838938 -2.02222291924e-05} Pt10 1.0 10 1
78 {} {0.664295418378 0.915143148286 -0.000192697010093} Pt11 1.0 11 1
78 {} {0.164310557321 0.665252809008 2.72042204107e-06} Pt12 1.0 12 1
78 {} {0.664487250739 0.165047362678 -0.000148628453121} Pt13 1.0 13 1
78 {} {0.414364786091 0.415110421104 -2.27644315731e-05} Pt14 1.0 14 1
78 {} {0.414318997603 0.165032448986 1.80708237901e-05} Pt15 1.0 15 1
78 {} {0.164234690362 0.41509902964 -4.54646661228e-05} Pt16 1.0 16 1
78 {} {0.747804612205 0.748083986284 0.0789100952093} Pt17 1.0 17 1
78 {} {0.747893024088 0.498298180332 0.078875450462} Pt18 1.0 18 1
78 {} {0.497824007342 0.748252663737 0.0791022422366} Pt19 1.0 19 1
78 {} {-0.00173379489071 0.497963418059 0.0793039853783} Pt20 1.0 20 1
78 {} {0.497627883247 -0.00171080400901 0.0788991265906} Pt21 1.0 21 1
78 {} {0.247567510511 0.248826284528 0.0794104849411} Pt22 1.0 22 1
78 {} {0.247881935987 -0.00150626673398 0.0787880545685} Pt23 1.0 23 1
78 {} {-0.00147840674937 0.248894527205 0.0793276284558} Pt24 1.0 24 1
78 {} {0.497782477796 0.498297898651 0.0788545237255} Pt25 1.0 25 1
78 {} {0.247893399697 0.748290487989 0.0789149569268} Pt26 1.0 26 1
78 {} {0.247673687918 0.498112937374 0.0790401800182} Pt27 1.0 27 1
78 {} {-0.002099478645 0.747865052503 0.0788213170822} Pt28 1.0 28 1
78 {} {0.747935581923 0.248360228998 0.0789475279834} Pt29 1.0 29 1
78 {} {0.747638347211 -0.00151744034106 0.0788975834548} Pt30 1.0 30 1
78 {} {0.497118918109 0.248531006405 0.0789373395726} Pt31 1.0 31 1
78 {} {-0.00219242619722 -0.00135541206807 0.0787883313291} Pt32 1.0 32 1
78 {} {0.330474950238 0.331491938917 0.157090826933} Pt33 1.0 33 1
78 {} {0.0815109950208 0.581281674038 0.156919001292} Pt34 1.0 34 1
78 {} {0.0825667866081 0.332086771301 0.15810583171} Pt35 1.0 35 1
78 {} {0.831146421438 0.581030926874 0.156694947018} Pt36 1.0 36 1
78 {} {0.581492341099 0.0814315647068 0.156632341373} Pt37 1.0 37 1
78 {} {0.581569824484 0.831258763198 0.156621066197} Pt38 1.0 38 1
78 {} {0.331493194121 0.0807772278591 0.156747289545} Pt39 1.0 39 1
78 {} {0.831363255116 0.831705327112 0.156374836979} Pt40 1.0 40 1
78 {} {0.581563889248 0.580743838434 0.156795716185} Pt41 1.0 41 1
78 {} {0.582076930157 0.330500847221 0.156270278657} Pt42 1.0 42 1
78 {} {0.331706906554 0.58172316571 0.156377801533} Pt43 1.0 43 1
78 {} {0.831990749609 0.330879684821 0.156569305019} Pt44 1.0 44 1
78 {} {0.331111326698 0.831339100737 0.156633248123} Pt45 1.0 45 1
78 {} {0.0812851648978 0.0815953805372 0.15657773178} Pt46 1.0 46 1
78 {} {0.0806567622596 0.832205167251 0.156174252224} Pt47 1.0 47 1
78 {} {0.831478486629 0.0813878846871 0.156740772551} Pt48 1.0 48 1
78 {} {0.416672596051 0.413331781893 0.233600333922} Pt49 1.0 49 1
78 {} {0.416140252864 0.16212142581 0.235613146904} Pt50 1.0 50 1
78 {} {0.163378057717 0.415891382341 0.237806353587} Pt51 1.0 51 1
78 {} {0.665924105089 0.16318509765 0.236071728058} Pt52 1.0 52 1
78 {} {0.164667115992 0.667254240281 0.234594390408} Pt53 1.0 53 1
78 {} {0.914858740003 0.914409149511 0.235781619816} Pt54 1.0 54 1
78 {} {0.912852992316 0.665869208912 0.235142402203} Pt55 1.0 55 1
78 {} {0.665110853979 0.91389633049 0.235691245974} Pt56 1.0 56 1
78 {} {0.16546944321 0.162441448822 0.235839692971} Pt57 1.0 57 1
78 {} {0.913618561949 0.41403223071 0.235821836285} Pt58 1.0 58 1
78 {} {0.915098254983 0.163786984771 0.235790665805} Pt59 1.0 59 1
78 {} {0.665903974541 0.413914668909 0.235872393106} Pt60 1.0 60 1
78 {} {0.415333834119 0.913329008263 0.235729430351} Pt61 1.0 61 1
78 {} {0.415856951073 0.664479931191 0.236287367256} Pt62 1.0 62 1
78 {} {0.165325226158 0.913991257982 0.235665678084} Pt63 1.0 63 1
78 {} {0.664640251888 0.663946322038 0.235810900549} Pt64 1.0 64 1
1 {} {0.502560400334 0.368344554146 0.323327636881} H1 1.0 65 1
1 {} {0.418061611375 0.527648680677 0.315923788991} H2 1.0 66 1
1 {} {0.253564697362 0.455964923798 0.321626223409} H3 1.0 67 1
1 {} {0.0938635357678 0.56208010347 0.320272025943} H4 1.0 68 1
8 {} {0.409127828633 0.447174812856 0.323074924376} O1 1.0 69 1
8 {} {0.161913024892 0.462054774817 0.317334020975} O2 1.0 70 1
8 {} {0.56050901772 0.448486334078 0.400482508492} O3 1.0 71 1
8 {} {0.30356937312 0.57511234119 0.411514754145} O4 1.0 72 1
16 {} {0.43480262786 0.445860851273 0.411360967281} S 1.0 73 1
@end
@Columns Cell
	Constraints	string	{a b c A B G}
	Origin	int	{{0 0 0}}
	Parameters	double	{{10.0 10.0 10.0 90.0 90.0 90.0}}
	PrimitiveData	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	RotationMatrix	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	SpaceGroup	string	P1
	SpaceGroupNumber	int	1
	ToCartesians	double	{{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}}
	ToFractionals	double	{{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}}
@end
@data
{a b c A B G} {0 0 0} {11.0868996364 11.0868996364 29.0524107273 90 90 60.0000007273} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{11.0868996364 0 0} {5.54344969631 9.60153680466 0} {0 0 29.0524107273}} {{0.0901965412149 0 0} {-0.0520749958239 0.104149993938 0} {0 0 0.0344205515125}}
@end
@Columns AsymmetricBond
	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@data
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@Columns Bond
	AsymmetricBond	reference	AsymmetricBond
	Atom1	reference	Atom
	Atom2	reference	Atom
	CellOffset2	int	{{0 0 0}}
	Key	int	0
@end
@data
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